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Home > Nitro Compounds > 88319-64-6

88319-64-6

88319-64-6 | L-Methioninamide, L-phenylalanyl-4-nitro-L-phenylalanylglycyl-L-leucyl-

CAS No: 88319-64-6 Catalog No: AG0048GN MDL No:

Product Description

Catalog Number:
AG0048GN
Chemical Name:
L-Methioninamide, L-phenylalanyl-4-nitro-L-phenylalanylglycyl-L-leucyl-
CAS Number:
88319-64-6
Molecular Formula:
C31H43N7O7S
Molecular Weight:
657.7808
IUPAC Name:
(2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]-4-methylpentanamide
InChI:
InChI=1S/C31H43N7O7S/c1-19(2)15-25(31(43)36-24(28(33)40)13-14-46-3)35-27(39)18-34-30(42)26(17-21-9-11-22(12-10-21)38(44)45)37-29(41)23(32)16-20-7-5-4-6-8-20/h4-12,19,23-26H,13-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,43)(H,37,41)/t23-,24-,25-,26-/m0/s1
InChI Key:
VDLBZWADSKZDJS-CQJMVLFOSA-N
SMILES:
CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1ccc(cc1)[N+](=O)[O-])CC(C)C

Properties

Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
657.294g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
657.787g/mol
Monoisotopic Mass:
657.294g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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